CIF to Crystal

The service offered here will help you create input to Crystal09 based on a crystallographic input file (CIF).

The input to Crystal09 calculates the normal mode frequencies and vectors at the Gamma point of the Brillouin Zone.
The output from Crystal09 can be used to estimate internal mean square displacements for the SHADE3 server.

Please submit your CIF file below, and you will obtain input for the Crystal09 program.

cif data_ block name:

Crystal09 Crystal14






Bug reports: madsen@chem.ku.dk